SCHEMBL9181736

SCHEMBL9181736

OC1(C2CCNCC2)c2ccccc2CCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTR2A P28223 1/20 0.45
KDM1A O60341 6/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL10471320 0.91 MAPK1 (0.58) MAPK1SMN1; SMN2HTR2AKDM1ACHRM2
SCHEMBL2151191 0.89 MAPK1 (0.77) MAPK1SMN1; SMN2HTR2AKDM1ACHRM2
SCHEMBL11401106 0.82 MAPK1 (0.42) MAPK1SMN1; SMN2HTR2CLMNA
SCHEMBL10471187 0.82 MAPK1 (0.44) MAPK1SMN1; SMN2KDM1AL3MBTL1LMNA
SCHEMBL9186595 0.79 MAPK1 (0.41) MAPK1SMN1; SMN2HTR2CL3MBTL1LMNA
SCHEMBL6970399 0.76 MAPK1 (0.59) MAPK1SMN1; SMN2HTR2AKDM1ACHRM2
SCHEMBL16938077 0.76 MAPK1 (0.63) MAPK1SMN1; SMN2CHRM2CHRM4CHRM5
Acetic Acid SCHEMBL10473378 0.75 MAPK1 (0.42) MAPK1SMN1; SMN2L3MBTL1LMNA
SCHEMBL14430492 0.75 MAPK1 (0.44) MAPK1SMN1; SMN2HTR2AKDM1A
SCHEMBL21801631 0.75 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
US-4912222-A Antihistamines related to cyproheptadine FISONS CORPORATION (US) 1990-03-27 US disclosed
WO-1989012443-A1 NOVEL DIBENZO-CYCLOHEPTENYL, -CYCLOHEPTYL AND -OXEPINYL AMINES HAVING ANTIHISTAMINIC PROPERTIES FISONS CORPORATION (US) 1989-12-28 WO disclosed